Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8WXI9
UPID:
P66B_HUMAN
Alternative names:
GATA zinc finger domain-containing protein 2B; p66/p68
Alternative UPACC:
Q8WXI9; D3DUZ2; Q5VUR2; Q7LG68; Q9ULS0
Background:
Transcriptional repressor p66-beta, also known as GATA zinc finger domain-containing protein 2B, plays a pivotal role in chromatin remodeling as part of the histone deacetylase NuRD complex. It enhances MBD2-mediated repression and is essential for targeting MBD3 to specific nuclear loci. Its involvement in synapse development underscores its importance in neurological processes.
Therapeutic significance:
Linked to Gand syndrome, a condition marked by developmental delays, intellectual impairment, and dysmorphic features, p66-beta's genetic variants offer a target for therapeutic intervention. Understanding its role could pave the way for novel treatments for Gand syndrome and related neurological disorders.